4-[6-chloranyl-2-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-oxo-2-(3-pyridylmethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-(3-pyridinylmethylamino)ethyl]thio]-4-pyrimidinyl]-N-(4-methoxyphenyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]sulfanylpyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-(3-pyridylmethylamino)ethyl]thio]pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide Formula: C25H28ClN7O3S MolecularWeight: 542.05292

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)OC)C3=CC(=NC(=N3)SCC(=O)NCC4=CN=CC=C4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)OC)C3=CC(=NC(=N3)SCC(=O)NCC4=CN=CC=C4)Cl

InChI

InChI=1S/C25H28ClN7O3S/c1-17-15-32(10-11-33(17)25(35)29-19-5-7-20(36-2)8-6-19)22-12-21(26)30-24(31-22)37-16-23(34)28-14-18-4-3-9-27-13-18/h3-9,12-13,17H,10-11,14-16H2,1-2H3,(H,28,34)(H,29,35)